ChemSpider 2D Image | 4-Hydroxy-3-{(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]-2,6-decadien-1-yl}benzoic acid | C24H32O6

4-Hydroxy-3-{(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]-2,6-decadien-1-yl}benzoic acid

  • Molecular FormulaC24H32O6
  • Average mass416.507 Da
  • Monoisotopic mass416.219879 Da
  • ChemSpider ID29214672

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Hydroxy-3-{(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]-2,6-decadien-1-yl}benzoesäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-{(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-2-methyl-5-oxotetrahydro-2-furanyl]-2,6-decadien-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-{(2E,6E,10S)-10-hydroxy-3,7-diméthyl-10-[(2R)-2-méthyl-5-oxotétrahydro-2-furanyl]-2,6-décadién-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-3-[(2E,6E,10S)-10-hydroxy-3,7-dimethyl-10-[(2R)-tetrahydro-2-methyl-5-oxo-2-furanyl]-2,6-decadien-1-yl]- [ACD/Index Name]
erythrolic acid C

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 658.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 223.5±25.0 °C
Index of Refraction: 1.568
Molar Refractivity: 115.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 3.05
ACD/BCF (pH 5.5): 68.35
ACD/KOC (pH 5.5): 358.90
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 1.47
ACD/KOC (pH 7.4): 7.70
Polar Surface Area: 104 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 351.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement